N-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide

C18H24N2O — CID 134005284

IUPACN-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NC1CCCC(C)C1
InChIInChI=1S/C18H24N2O/c1-12-6-5-7-14(10-12)20-18(21)11-16-13(2)19-17-9-4-3-8-15(16)17/h3-4,8-9,12,14,19H,5-7,10-11H2,1-2H3,(H,20,21)
InChIKeyKWXJFOYMHHNQBJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.71
Rot. Bonds3

About N-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide

N-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 134005284) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID134005284
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NC1CCCC(C)C1
InChIInChI=1S/C18H24N2O/c1-12-6-5-7-14(10-12)20-18(21)11-16-13(2)19-17-9-4-3-8-15(16)17/h3-4,8-9,12,14,19H,5-7,10-11H2,1-2H3,(H,20,21)
InChIKeyKWXJFOYMHHNQBJ-UHFFFAOYSA-N
XLogP3.71
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

Indoramin
CID 33625
Frovatriptan
CID 77992
Rucaparib
CID 9931954
Ilomastat
CID 132519
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Frovatriptan Succinate
CID 152943
Indole-3-acetamide
CID 397
N-Acetyltryptamine
CID 70547
Pf-06840003
CID 23063810
Indoramin hydrochloride
CID 38102
N-(20-Amino-4-hydroxy-4,8,12,17-tetraazaeicos-1-yl)-1H-indole-3-acetamide
CID 131007
Indole-3-acetaldehyde
CID 800

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide (CID 134005284) is N-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)NC1CCCC(C)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is KWXJFOYMHHNQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-6-5-7-14(10-12)20-18(21)11-16-13(2)19-17-9-4-3-8-15(16)17/h3-4,8-9,12,14,19H,5-7,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
N-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 284.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 134005284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).